smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000033313410 562037069 /nfs/dbraw/zinc/03/70/69/562037069.db2.gz OQSIVBNNWJHXAT-KGENOOAVSA-N -1 2 500.463 4.257 10 10 KICELM